(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one

C23H17NO2 — CID 69081973

IUPAC(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H17NO2/c25-23-24-21(22(26-23)19-11-5-2-6-12-19)20-13-7-10-18(16-20)15-14-17-8-3-1-4-9-17/h1-13,16,21-22H,(H,24,25)/t21-,22-/m1/s1
InChIKeyWNOORNNENVRQKM-FGZHOGPDSA-N
MW339.39 g/mol
LogP4.61
Rot. Bonds2

About (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one

(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 69081973) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID69081973
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H17NO2/c25-23-24-21(22(26-23)19-11-5-2-6-12-19)20-13-7-10-18(16-20)15-14-17-8-3-1-4-9-17/h1-13,16,21-22H,(H,24,25)/t21-,22-/m1/s1
InChIKeyWNOORNNENVRQKM-FGZHOGPDSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one (CID 69081973) is (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WNOORNNENVRQKM-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H17NO2/c25-23-24-21(22(26-23)19-11-5-2-6-12-19)20-13-7-10-18(16-20)15-14-17-8-3-1-4-9-17/h1-13,16,21-22H,(H,24,25)/t21-,22-/m1/s1.
What are the key properties of (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 339.39 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69081973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).